smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(N2CCC([N@H+]3CCC4(C3)CC[NH2+]CC4)CC2)cc2c1OCO2 ZINC000067947698 463071348 /nfs/dbraw/zinc/07/13/48/463071348.db2.gz JTEJTVWPBYFNQG-UHFFFAOYSA-N 2 1 343.471 2.460 50 10 EECAMP O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855377 462678701 /nfs/dbraw/zinc/67/87/01/462678701.db2.gz GODCAQKAFYHVBL-WOJBJXKFSA-N 2 1 330.472 2.481 50 10 EECAMP O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855377 462678706 /nfs/dbraw/zinc/67/87/06/462678706.db2.gz GODCAQKAFYHVBL-WOJBJXKFSA-N 2 1 330.472 2.481 50 10 EECAMP OCc1cc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc[nH+]1 ZINC000065395578 462764166 /nfs/dbraw/zinc/76/41/66/462764166.db2.gz JAVVWEBUVLONSC-UHFFFAOYSA-N 2 1 333.819 2.255 50 10 EECAMP c1cc(N2CCC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc2c1OCO2 ZINC000067605214 275064490 /nfs/dbraw/zinc/06/44/90/275064490.db2.gz VHXUWRBYHDGKFD-FQEVSTJZSA-N 2 1 343.471 2.460 50 10 EECAMP c1cc(N2CCC([N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc2c1OCO2 ZINC000065398104 462764345 /nfs/dbraw/zinc/76/43/45/462764345.db2.gz OKYPCRNZKPJIAP-CABCVRRESA-N 2 1 329.444 2.210 50 10 EECAMP c1cc(N2CCC([N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc2c1OCO2 ZINC000065398104 462764348 /nfs/dbraw/zinc/76/43/48/462764348.db2.gz OKYPCRNZKPJIAP-CABCVRRESA-N 2 1 329.444 2.210 50 10 EECAMP c1cc(N2CCC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc2c1OCO2 ZINC000067605216 463024765 /nfs/dbraw/zinc/02/47/65/463024765.db2.gz VHXUWRBYHDGKFD-HXUWFJFHSA-N 2 1 343.471 2.460 50 10 EECAMP